6-{4-[(3-chloro-4-methoxyphenyl)acetyl]piperazine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-{4-[(3-chloro-4-methoxyphenyl)acetyl]piperazine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
6-{4-[(3-chloro-4-methoxyphenyl)acetyl]piperazine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | L694-0110 |
| Compound Name: | 6-{4-[(3-chloro-4-methoxyphenyl)acetyl]piperazine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 479.94 |
| Molecular Formula: | C21 H22 Cl N3 O6 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(N1CCN(CC1)C(Cc1ccc(c(c1)[Cl])OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1768 |
| logD: | 2.1768 |
| logSw: | -3.1386 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.374 |
| InChI Key: | NYQDODGZNZXYBI-UHFFFAOYSA-N |